CID 6245606

617694-20-9

Structural Information

Molecular Formula
C31H34N2O5
SMILES
CCN(CC)CCN1C(/C(=C(/C2=C(C=C(C=C2)OCC3=CC=CC=C3)C)\O)/C(=O)C1=O)C4=CC=C(C=C4)O
InChI
InChI=1S/C31H34N2O5/c1-4-32(5-2)17-18-33-28(23-11-13-24(34)14-12-23)27(30(36)31(33)37)29(35)26-16-15-25(19-21(26)3)38-20-22-9-7-6-8-10-22/h6-16,19,28,34-35H,4-5,17-18,20H2,1-3H3/b29-27+
InChIKey
GFLDJKGHCIPUFS-ORIPQNMZSA-N
Compound name
(4E)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.24677 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.25405 230.0
[M+Na]+ 537.23599 241.7
[M+NH4]+ 532.28059 233.9
[M+K]+ 553.20993 236.5
[M-H]- 513.23949 235.7
[M+Na-2H]- 535.22144 235.7
[M]+ 514.24622 233.0
[M]- 514.24732 233.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.